Details of the Drug

General Information of Drug (ID: DM8C43L)

• Drug Name: 2,3-dioxoindoline-7-carboxylic acid
• Synonyms: 2,3-dioxoindoline-7-carboxylic acid; 25128-35-2; Isatin-7-carboxylic acid; 2,3-DIOXO-2,3-DIHYDRO-1H-INDOLE-7-CARBOXYLIC ACID; 2,3-dioxo-1H-indole-7-carboxylic Acid; CHEMBL375078; 1H-INDOLE-7-CARBOXYLIC ACID, 2,3-DIHYDRO-2,3-DIOXO-; 2,3-dioxo-1H-benzo[d]azolidine-7-carboxylic acid; 2,3-Dioxoindoline-7-carboxylicacid; 7-isatincarboxylic acid; PubChem24310; AC1MCVF6; Isatin-based compound, 46; AC1Q72QN; SCHEMBL1742133; BDBM22826; CTK1A1532; DTXSID00381427; ROODQCZSWXEDJL-UHFFFAOYSA-N; MolPort-000-144-864; ZINC2496760; KS-00000FO0

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 191.14
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C9H5NO4
  IUPAC Name: 2,3-dioxo-1H-indole-7-carboxylic acid
  Canonical SMILES: C1=CC2=C(C(=C1)C(=O)O)NC(=O)C2=O
  InChI: InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
  InChIKey: ROODQCZSWXEDJL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2779383
  CAS Number: 25128-35-2
  TTD ID: D0Y0XQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DNA ligase (Bact ligA)	TTGX0HR	DNLJ_ECOLI	Inhibitor	[1]

References

• [1] Identification and validation of human DNA ligase inhibitors using computer-aided drug design. J Med Chem. 2008 Aug 14;51(15):4553-62.